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(+)-[RS,1Z,N(1S),3S,4R]-N-[1-(HYDROXYMETHYL)-2-METHYLPROPYL]-3-METHYL-1-(4-METHYLPHENYLSULFONIMIDOYL)-1-PENTENE-4-OL
SpectraBase Compound ID 2Zxmy1JIooE
InChI InChI=1S/C18H29NO3S/c1-13(2)18(12-20)19-23(22,11-10-15(4)16(5)21)17-8-6-14(3)7-9-17/h6-11,13,15-16,18,20-21H,12H2,1-5H3/b11-10-/t15-,16+,18-,23?/m0/s1
InChIKey YPNQMVIPITYKLU-LAGDEVKYSA-N
Mol Weight 339.49 g/mol
Molecular Formula C18H29NO3S
Exact Mass 339.186815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Q7hbnghGgC
Name (+)-[RS,1Z,N(1S),3S,4R]-N-[1-(HYDROXYMETHYL)-2-METHYLPROPYL]-3-METHYL-1-(4-METHYLPHENYLSULFONIMIDOYL)-1-PENTENE-4-OL
Compound Number 20A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H29NO3S
InChI InChI=1S/C18H29NO3S/c1-13(2)18(12-20)19-23(22,11-10-15(4)16(5)21)17-8-6-14(3)7-9-17/h6-11,13,15-16,18,20-21H,12H2,1-5H3/b11-10-/t15-,16+,18-,23?/m0/s1
InChIKey YPNQMVIPITYKLU-LAGDEVKYSA-N
Literature Reference Author M.REGGELIN,H.WEINBERGER,M.GERLACH,R.WELCKER
Literature Reference Citation J.AM.CHEM.SOC.,118,4765(1996)
Literature Reference DOI 10.1021/ja9530735
Molecular Weight 339.493 g/mol
Sample ID 45880
Solvent CDCl3